1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one

C16H20FNO3 — CID 3077948

IUPAC1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one
SMILESCCCCCOC1CCC(=O)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c1-2-3-4-11-21-15-10-9-14(19)18(15)16(20)12-5-7-13(17)8-6-12/h5-8,15H,2-4,9-11H2,1H3
InChIKeyGUKFVZAIVYIAPW-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one

1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one (PubChem CID 3077948) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one
PubChem CID3077948
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one
SMILESCCCCCOC1CCC(=O)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c1-2-3-4-11-21-15-10-9-14(19)18(15)16(20)12-5-7-13(17)8-6-12/h5-8,15H,2-4,9-11H2,1H3
InChIKeyGUKFVZAIVYIAPW-UHFFFAOYSA-N
XLogP3.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one?
The IUPAC name of 1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one (CID 3077948) is 1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one is CCCCCOC1CCC(=O)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one?
The InChIKey is GUKFVZAIVYIAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-2-3-4-11-21-15-10-9-14(19)18(15)16(20)12-5-7-13(17)8-6-12/h5-8,15H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one?
1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one has a molecular weight of 293.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one is sourced from PubChem (CID 3077948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).